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Molecule Identifiers
Molecular Properties

ID: 104182

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 104183

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)CC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.797

InChIKey:
SXAYRHMKDKIGKJ-UHFFFAOYSA-N

ID: 104184

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(CO)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 104185

SMILES:
C1(C)C(=O)CCC(C)(C)C12Cc1c(O)c(OC)c(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.522

InChIKey:
HOJWSAKKAKTLDG-UHFFFAOYSA-N

ID: 104186

SMILES:
C(OC1(C)CCC(c2c(O)cc(CCCCC)cc2O1)C(C)C)(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.646

InChIKey:
MMDUHIQPLLEGSG-UHFFFAOYSA-N

ID: 104187

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c(O)c1CC(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.929

InChIKey:
OWJUUXZBXACHHT-UHFFFAOYSA-N

ID: 104188

SMILES:
C1C(=O)C(C)(C)OC1CCC1(C)Oc2cc(C)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.253

InChIKey:
RDLWJBCXSUBSRC-UHFFFAOYSA-N

ID: 104189

SMILES:
C=C(C(c1c(O)c(C(=O)CCC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -16.967

InChIKey:
SDSGMWHLNHVWQR-UHFFFAOYSA-N

ID: 104190

SMILES:
C1(C)(O)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 104191

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCC(OC)=O)cc1O)(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.334

InChIKey:
FPNWTLMAHYCIOT-UHFFFAOYSA-N

ID: 104192

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 104193

SMILES:
c1(OC)c(O)ccc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.189

InChIKey:
XIKSPZHKWNEGGO-UHFFFAOYSA-N

ID: 104194

SMILES:
C1(C)COc2cc(CCCCC)cc(O)c2C2C3C(OC(=O)C)CCC(C)C2(C)C13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -16.164

InChIKey:
IMBPRZAKPNOJFY-UHFFFAOYSA-N

ID: 104195

SMILES:
c1c(C)cc(C2C(C(C)=C)CCC(C)=C2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.706

InChIKey:
FBXSVXARSUKKDJ-UHFFFAOYSA-N

ID: 104196

SMILES:
C(Oc1cc(CCCCC)cc2c1C1CC(C)(C)OC1(C)CC2=O)=C(CO)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -17.905

InChIKey:
RVQDTBCLSKJKIH-UHFFFAOYSA-N

ID: 104197

SMILES:
c1(O)cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 104198

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 104199

SMILES:
C1CC(C)=CCC1(c1cc(CCCCC)cc(OC)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.318

InChIKey:
JAKFBOCVBYMCJM-UHFFFAOYSA-N

ID: 104200

SMILES:
C(c1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC(CCCC(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.62

CB1 binding score: -16.81

InChIKey:
XYDHGVAVPVICNR-UHFFFAOYSA-N

ID: 104201

SMILES:
C(=C(C)CCC=C(C)C)c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.199

InChIKey:
OSCWMBSLWGMDCA-UHFFFAOYSA-N

ID: 104202

SMILES:
C1(=C)C2C3C(C(C)(C)Oc4c2c(O)cc(C)c4)C(C=C(C)C)C13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -13.854

InChIKey:
DSAIJRIGCUEFLF-UHFFFAOYSA-N

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104182–104202 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties